Compile Data Set for Download or QSAR

Found 31 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50003964   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50067593 (CHEBI:44032 | Crixivan | Indinavir | L-735524 | MK...) Show SMILES CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r| Show InChI InChI=1S/C36H47N5O4/c1-36(2,3)39-35(45)31-24-40(22-26-12-9-15-37-21-26)16-17-41(31)23-29(42)19-28(18-25-10-5-4-6-11-25)34(44)38-33-30-14-8-7-13-27(30)20-32(33)43/h4-15,21,28-29,31-33,42-43H,16-20,22-24H2,1-3H3,(H,38,44)(H,39,45)/t28-,29+,31+,32-,33+/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.520	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of HIV1 protease expressed in Escherichia coli				J Med Chem 51: 1053-7 (2008) Article DOI: 10.1021/jm070680h BindingDB Entry DOI: 10.7270/Q20Z7629
					More data for this Ligand-Target Pair				3D Structure (crystal)
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50478128 (CHEMBL442805) Show SMILES COC(=O)N[C@H](C(=O)NN(CCC[C@@](O)(Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)Cc1ccc(cc1)-c1cn2ccsc2n1)C(C)(C)C Show InChI InChI=1S/C41H48N6O6S/c1-40(2,3)35(44-39(51)53-4)36(49)45-47(25-28-15-17-29(18-16-28)32-26-46-21-22-54-38(46)42-32)20-10-19-41(52,24-27-11-6-5-7-12-27)37(50)43-34-31-14-9-8-13-30(31)23-33(34)48/h5-9,11-18,21-22,26,33-35,48,52H,10,19-20,23-25H2,1-4H3,(H,43,50)(H,44,51)(H,45,49)/t33-,34+,35-,41-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of HIV1 protease expressed in Escherichia coli				J Med Chem 51: 1053-7 (2008) Article DOI: 10.1021/jm070680h BindingDB Entry DOI: 10.7270/Q20Z7629
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50478106 (CHEMBL405316) Show SMILES COC(=O)N[C@H](C(=O)NN(CCC[C@@](O)(Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)Cc1ccc(cc1)-c1nccs1)C(C)(C)C Show InChI InChI=1S/C39H47N5O6S/c1-38(2,3)33(42-37(48)50-4)34(46)43-44(25-27-15-17-28(18-16-27)35-40-20-22-51-35)21-10-19-39(49,24-26-11-6-5-7-12-26)36(47)41-32-30-14-9-8-13-29(30)23-31(32)45/h5-9,11-18,20,22,31-33,45,49H,10,19,21,23-25H2,1-4H3,(H,41,47)(H,42,48)(H,43,46)/t31-,32+,33-,39-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of HIV1 protease expressed in Escherichia coli				J Med Chem 51: 1053-7 (2008) Article DOI: 10.1021/jm070680h BindingDB Entry DOI: 10.7270/Q20Z7629
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50478108 (CHEMBL272832) Show SMILES COC(=O)N[C@H](C(=O)NN(CCC[C@@](O)(Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)Cc1ccc(cc1)-c1cncnc1)C(C)(C)C Show InChI InChI=1S/C40H48N6O6/c1-39(2,3)35(44-38(50)52-4)36(48)45-46(25-28-15-17-29(18-16-28)31-23-41-26-42-24-31)20-10-19-40(51,22-27-11-6-5-7-12-27)37(49)43-34-32-14-9-8-13-30(32)21-33(34)47/h5-9,11-18,23-24,26,33-35,47,51H,10,19-22,25H2,1-4H3,(H,43,49)(H,44,50)(H,45,48)/t33-,34+,35-,40-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of HIV1 protease expressed in Escherichia coli				J Med Chem 51: 1053-7 (2008) Article DOI: 10.1021/jm070680h BindingDB Entry DOI: 10.7270/Q20Z7629
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50478129 (CHEMBL270059) Show SMILES COC(=O)N[C@H](C(=O)NN(Cc1ccc(Br)cc1)C[C@](O)(Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)C(C)(C)C Show InChI InChI=1S/C34H41BrN4O6/c1-33(2,3)29(37-32(43)45-4)30(41)38-39(20-23-14-16-25(35)17-15-23)21-34(44,19-22-10-6-5-7-11-22)31(42)36-28-26-13-9-8-12-24(26)18-27(28)40/h5-17,27-29,40,44H,18-21H2,1-4H3,(H,36,42)(H,37,43)(H,38,41)/t27-,28+,29-,34-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of HIV1 protease expressed in Escherichia coli				J Med Chem 51: 1053-7 (2008) Article DOI: 10.1021/jm070680h BindingDB Entry DOI: 10.7270/Q20Z7629
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM13934 (Atazanavir | BMS 232632 | CGP 73547 | CHEMBL1163 |...) Show SMILES COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(cc1)-c1ccccn1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C |r| Show InChI InChI=1S/C38H52N6O7/c1-37(2,3)31(41-35(48)50-7)33(46)40-29(22-25-14-10-9-11-15-25)30(45)24-44(43-34(47)32(38(4,5)6)42-36(49)51-8)23-26-17-19-27(20-18-26)28-16-12-13-21-39-28/h9-21,29-32,45H,22-24H2,1-8H3,(H,40,46)(H,41,48)(H,42,49)(H,43,47)/t29-,30-,31+,32+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of HIV1 protease expressed in Escherichia coli				J Med Chem 51: 1053-7 (2008) Article DOI: 10.1021/jm070680h BindingDB Entry DOI: 10.7270/Q20Z7629
					More data for this Ligand-Target Pair				3D Structure (crystal)
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50478109 (CHEMBL539678) Show SMILES COC(=O)N[C@H](C(=O)NN(CCC[C@@](O)(Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)Cc1ccc(cc1)-c1ccccn1)C(C)(C)C Show InChI InChI=1S/C41H49N5O6/c1-40(2,3)36(44-39(50)52-4)37(48)45-46(27-29-18-20-30(21-19-29)33-17-10-11-23-42-33)24-12-22-41(51,26-28-13-6-5-7-14-28)38(49)43-35-32-16-9-8-15-31(32)25-34(35)47/h5-11,13-21,23,34-36,47,51H,12,22,24-27H2,1-4H3,(H,43,49)(H,44,50)(H,45,48)/t34-,35+,36-,41-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of HIV1 protease expressed in Escherichia coli				J Med Chem 51: 1053-7 (2008) Article DOI: 10.1021/jm070680h BindingDB Entry DOI: 10.7270/Q20Z7629
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50478118 (CHEMBL270135) Show SMILES COC(=O)N[C@H](C(=O)NN(CCC[C@@](O)(Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)Cc1ccc(cc1)-c1ccncc1)C(C)(C)C |r| Show InChI InChI=1S/C41H49N5O6/c1-40(2,3)36(44-39(50)52-4)37(48)45-46(27-29-15-17-30(18-16-29)31-19-22-42-23-20-31)24-10-21-41(51,26-28-11-6-5-7-12-28)38(49)43-35-33-14-9-8-13-32(33)25-34(35)47/h5-9,11-20,22-23,34-36,47,51H,10,21,24-27H2,1-4H3,(H,43,49)(H,44,50)(H,45,48)/t34-,35+,36-,41-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of HIV1 protease expressed in Escherichia coli				J Med Chem 51: 1053-7 (2008) Article DOI: 10.1021/jm070680h BindingDB Entry DOI: 10.7270/Q20Z7629
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50478121 (CHEMBL271818) Show SMILES COC(=O)N[C@H](C(=O)NN(CCC[C@@](O)(Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)Cc1ccc(cc1)C#N)C(C)(C)C Show InChI InChI=1S/C37H45N5O6/c1-36(2,3)32(40-35(46)48-4)33(44)41-42(24-27-17-15-26(23-38)16-18-27)20-10-19-37(47,22-25-11-6-5-7-12-25)34(45)39-31-29-14-9-8-13-28(29)21-30(31)43/h5-9,11-18,30-32,43,47H,10,19-22,24H2,1-4H3,(H,39,45)(H,40,46)(H,41,44)/t30-,31+,32-,37-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of HIV1 protease expressed in Escherichia coli				J Med Chem 51: 1053-7 (2008) Article DOI: 10.1021/jm070680h BindingDB Entry DOI: 10.7270/Q20Z7629
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50478107 (CHEMBL429609) Show SMILES COC(=O)N[C@H](C(=O)NN(CCC[C@@](O)(Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)Cc1ccc(cc1)-n1ccnc1)C(C)(C)C Show InChI InChI=1S/C39H48N6O6/c1-38(2,3)34(42-37(49)51-4)35(47)43-45(25-28-15-17-30(18-16-28)44-22-20-40-26-44)21-10-19-39(50,24-27-11-6-5-7-12-27)36(48)41-33-31-14-9-8-13-29(31)23-32(33)46/h5-9,11-18,20,22,26,32-34,46,50H,10,19,21,23-25H2,1-4H3,(H,41,48)(H,42,49)(H,43,47)/t32-,33+,34-,39-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of HIV1 protease expressed in Escherichia coli				J Med Chem 51: 1053-7 (2008) Article DOI: 10.1021/jm070680h BindingDB Entry DOI: 10.7270/Q20Z7629
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50478110 (CHEMBL259895) Show SMILES COC(=O)N[C@H](C(=O)NN(CCC[C@@](O)(Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)Cc1ccc(Br)cc1)C(C)(C)C |r| Show InChI InChI=1S/C36H45BrN4O6/c1-35(2,3)31(39-34(45)47-4)32(43)40-41(23-25-15-17-27(37)18-16-25)20-10-19-36(46,22-24-11-6-5-7-12-24)33(44)38-30-28-14-9-8-13-26(28)21-29(30)42/h5-9,11-18,29-31,42,46H,10,19-23H2,1-4H3,(H,38,44)(H,39,45)(H,40,43)/t29-,30+,31-,36-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of HIV1 protease expressed in Escherichia coli				J Med Chem 51: 1053-7 (2008) Article DOI: 10.1021/jm070680h BindingDB Entry DOI: 10.7270/Q20Z7629
					More data for this Ligand-Target Pair				3D Structure (crystal)
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50478116 (CHEMBL405041) Show SMILES COC(=O)N[C@H](C(=O)NN(CCC[C@@](O)(Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)Cc1ccc(Cl)cc1)C(C)(C)C Show InChI InChI=1S/C36H45ClN4O6/c1-35(2,3)31(39-34(45)47-4)32(43)40-41(23-25-15-17-27(37)18-16-25)20-10-19-36(46,22-24-11-6-5-7-12-24)33(44)38-30-28-14-9-8-13-26(28)21-29(30)42/h5-9,11-18,29-31,42,46H,10,19-23H2,1-4H3,(H,38,44)(H,39,45)(H,40,43)/t29-,30+,31-,36-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of HIV1 protease expressed in Escherichia coli				J Med Chem 51: 1053-7 (2008) Article DOI: 10.1021/jm070680h BindingDB Entry DOI: 10.7270/Q20Z7629
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50478119 (CHEMBL405858) Show SMILES COC(=O)N[C@H](C(=O)NN(CCC[C@@](O)(Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)Cc1ccc(cc1)-c1csc(C)n1)C(C)(C)C Show InChI InChI=1S/C40H49N5O6S/c1-26-41-32(25-52-26)29-18-16-28(17-19-29)24-45(44-36(47)35(39(2,3)4)43-38(49)51-5)21-11-20-40(50,23-27-12-7-6-8-13-27)37(48)42-34-31-15-10-9-14-30(31)22-33(34)46/h6-10,12-19,25,33-35,46,50H,11,20-24H2,1-5H3,(H,42,48)(H,43,49)(H,44,47)/t33-,34+,35-,40-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of HIV1 protease expressed in Escherichia coli				J Med Chem 51: 1053-7 (2008) Article DOI: 10.1021/jm070680h BindingDB Entry DOI: 10.7270/Q20Z7629
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50478125 (CHEMBL269874) Show SMILES COC(=O)N[C@H](C(=O)NN(CCC[C@@](O)(Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)Cc1ccc(cc1)N1CCOCC1)C(C)(C)C Show InChI InChI=1S/C40H53N5O7/c1-39(2,3)35(42-38(49)51-4)36(47)43-45(27-29-15-17-31(18-16-29)44-21-23-52-24-22-44)20-10-19-40(50,26-28-11-6-5-7-12-28)37(48)41-34-32-14-9-8-13-30(32)25-33(34)46/h5-9,11-18,33-35,46,50H,10,19-27H2,1-4H3,(H,41,48)(H,42,49)(H,43,47)/t33-,34+,35-,40-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of HIV1 protease expressed in Escherichia coli				J Med Chem 51: 1053-7 (2008) Article DOI: 10.1021/jm070680h BindingDB Entry DOI: 10.7270/Q20Z7629
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50478122 (CHEMBL406420) Show SMILES COC(=O)N[C@H](C(=O)NN(CCC[C@@](O)(Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)Cc1ccc(cc1)-c1noc(C)n1)C(C)(C)C Show InChI InChI=1S/C39H48N6O7/c1-25-40-34(44-52-25)28-18-16-27(17-19-28)24-45(43-35(47)33(38(2,3)4)42-37(49)51-5)21-11-20-39(50,23-26-12-7-6-8-13-26)36(48)41-32-30-15-10-9-14-29(30)22-31(32)46/h6-10,12-19,31-33,46,50H,11,20-24H2,1-5H3,(H,41,48)(H,42,49)(H,43,47)/t31-,32+,33-,39-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of HIV1 protease expressed in Escherichia coli				J Med Chem 51: 1053-7 (2008) Article DOI: 10.1021/jm070680h BindingDB Entry DOI: 10.7270/Q20Z7629
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50478103 (CHEMBL405019) Show SMILES COC(=O)N[C@H](C(=O)NN(CCC[C@@](O)(Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)Cc1ccc(cc1)-c1cccnc1)C(C)(C)C Show InChI InChI=1S/C41H49N5O6/c1-40(2,3)36(44-39(50)52-4)37(48)45-46(27-29-17-19-30(20-18-29)32-15-10-22-42-26-32)23-11-21-41(51,25-28-12-6-5-7-13-28)38(49)43-35-33-16-9-8-14-31(33)24-34(35)47/h5-10,12-20,22,26,34-36,47,51H,11,21,23-25,27H2,1-4H3,(H,43,49)(H,44,50)(H,45,48)/t34-,35+,36-,41-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of HIV1 protease expressed in Escherichia coli				J Med Chem 51: 1053-7 (2008) Article DOI: 10.1021/jm070680h BindingDB Entry DOI: 10.7270/Q20Z7629
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50478104 (CHEMBL272849) Show SMILES COC(=O)N[C@H](C(=O)NN(CCC[C@@](O)(Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)Cc1ccc(I)cc1)C(C)(C)C Show InChI InChI=1S/C36H45IN4O6/c1-35(2,3)31(39-34(45)47-4)32(43)40-41(23-25-15-17-27(37)18-16-25)20-10-19-36(46,22-24-11-6-5-7-12-24)33(44)38-30-28-14-9-8-13-26(28)21-29(30)42/h5-9,11-18,29-31,42,46H,10,19-23H2,1-4H3,(H,38,44)(H,39,45)(H,40,43)/t29-,30+,31-,36-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of HIV1 protease expressed in Escherichia coli				J Med Chem 51: 1053-7 (2008) Article DOI: 10.1021/jm070680h BindingDB Entry DOI: 10.7270/Q20Z7629
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50478115 (CHEMBL273031) Show SMILES COC(=O)N[C@H](C(=O)NN(CCC[C@@](O)(Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)Cc1ccc(cc1)N(C)C)C(C)(C)C Show InChI InChI=1S/C38H51N5O6/c1-37(2,3)33(40-36(47)49-6)34(45)41-43(25-27-17-19-29(20-18-27)42(4)5)22-12-21-38(48,24-26-13-8-7-9-14-26)35(46)39-32-30-16-11-10-15-28(30)23-31(32)44/h7-11,13-20,31-33,44,48H,12,21-25H2,1-6H3,(H,39,46)(H,40,47)(H,41,45)/t31-,32+,33-,38-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of HIV1 protease expressed in Escherichia coli				J Med Chem 51: 1053-7 (2008) Article DOI: 10.1021/jm070680h BindingDB Entry DOI: 10.7270/Q20Z7629
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50478127 (CHEMBL273057) Show SMILES COC(=O)N[C@H](C(=O)NN(Cc1ccc(cc1)-c1cccnc1)C[C@](O)(Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)C(C)(C)C Show InChI InChI=1S/C39H45N5O6/c1-38(2,3)34(42-37(48)50-4)35(46)43-44(24-27-16-18-28(19-17-27)30-14-10-20-40-23-30)25-39(49,22-26-11-6-5-7-12-26)36(47)41-33-31-15-9-8-13-29(31)21-32(33)45/h5-20,23,32-34,45,49H,21-22,24-25H2,1-4H3,(H,41,47)(H,42,48)(H,43,46)/t32-,33+,34-,39-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of HIV1 protease expressed in Escherichia coli				J Med Chem 51: 1053-7 (2008) Article DOI: 10.1021/jm070680h BindingDB Entry DOI: 10.7270/Q20Z7629
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50478105 (CHEMBL272848) Show SMILES COC(=O)N[C@H](C(=O)NN(CCC[C@@](O)(Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)Cc1ccc(OCc2cnc(Cl)s2)cc1)C(C)(C)C Show InChI InChI=1S/C40H48ClN5O7S/c1-39(2,3)34(44-38(50)52-4)35(48)45-46(24-27-15-17-29(18-16-27)53-25-30-23-42-37(41)54-30)20-10-19-40(51,22-26-11-6-5-7-12-26)36(49)43-33-31-14-9-8-13-28(31)21-32(33)47/h5-9,11-18,23,32-34,47,51H,10,19-22,24-25H2,1-4H3,(H,43,49)(H,44,50)(H,45,48)/t32-,33+,34-,40-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of HIV1 protease expressed in Escherichia coli				J Med Chem 51: 1053-7 (2008) Article DOI: 10.1021/jm070680h BindingDB Entry DOI: 10.7270/Q20Z7629
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50478117 (CHEMBL259884) Show SMILES COC(=O)N[C@H](C(=O)NN(CCC[C@@](O)(Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)Cc1ccccc1)C(C)(C)C Show InChI InChI=1S/C36H46N4O6/c1-35(2,3)31(38-34(44)46-4)32(42)39-40(24-26-16-9-6-10-17-26)21-13-20-36(45,23-25-14-7-5-8-15-25)33(43)37-30-28-19-12-11-18-27(28)22-29(30)41/h5-12,14-19,29-31,41,45H,13,20-24H2,1-4H3,(H,37,43)(H,38,44)(H,39,42)/t29-,30+,31-,36-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of HIV1 protease expressed in Escherichia coli				J Med Chem 51: 1053-7 (2008) Article DOI: 10.1021/jm070680h BindingDB Entry DOI: 10.7270/Q20Z7629
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50478111 (CHEMBL437606) Show SMILES COC(=O)N[C@H](C(=O)NN(CCC[C@@](O)(Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)Cc1ccc(F)cc1)C(C)(C)C Show InChI InChI=1S/C36H45FN4O6/c1-35(2,3)31(39-34(45)47-4)32(43)40-41(23-25-15-17-27(37)18-16-25)20-10-19-36(46,22-24-11-6-5-7-12-24)33(44)38-30-28-14-9-8-13-26(28)21-29(30)42/h5-9,11-18,29-31,42,46H,10,19-23H2,1-4H3,(H,38,44)(H,39,45)(H,40,43)/t29-,30+,31-,36-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of HIV1 protease expressed in Escherichia coli				J Med Chem 51: 1053-7 (2008) Article DOI: 10.1021/jm070680h BindingDB Entry DOI: 10.7270/Q20Z7629
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50478126 (CHEMBL442971) Show SMILES COC(=O)N[C@H](C(=O)NN(CCC[C@@](O)(Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)CC(C)C)C(C)(C)C Show InChI InChI=1S/C33H48N4O6/c1-22(2)21-37(36-29(39)28(32(3,4)5)35-31(41)43-6)18-12-17-33(42,20-23-13-8-7-9-14-23)30(40)34-27-25-16-11-10-15-24(25)19-26(27)38/h7-11,13-16,22,26-28,38,42H,12,17-21H2,1-6H3,(H,34,40)(H,35,41)(H,36,39)/t26-,27+,28-,33-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of HIV1 protease expressed in Escherichia coli				J Med Chem 51: 1053-7 (2008) Article DOI: 10.1021/jm070680h BindingDB Entry DOI: 10.7270/Q20Z7629
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50478113 (CHEMBL271756) Show SMILES COC(=O)N[C@H](C(=O)NN(CCC[C@@](O)(Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)Cc1ccc(cc1)-c1ccccc1)C(C)(C)C Show InChI InChI=1S/C42H50N4O6/c1-41(2,3)37(44-40(50)52-4)38(48)45-46(28-30-20-22-32(23-21-30)31-16-9-6-10-17-31)25-13-24-42(51,27-29-14-7-5-8-15-29)39(49)43-36-34-19-12-11-18-33(34)26-35(36)47/h5-12,14-23,35-37,47,51H,13,24-28H2,1-4H3,(H,43,49)(H,44,50)(H,45,48)/t35-,36+,37-,42-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of HIV1 protease expressed in Escherichia coli				J Med Chem 51: 1053-7 (2008) Article DOI: 10.1021/jm070680h BindingDB Entry DOI: 10.7270/Q20Z7629
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50478112 (CHEMBL407748) Show SMILES COC(=O)N[C@H](C(=O)NN(CCC[C@@](O)(Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)Cc1ccc(cc1)-c1ccsc1)C(C)(C)C Show InChI InChI=1S/C40H48N4O6S/c1-39(2,3)35(42-38(48)50-4)36(46)43-44(25-28-15-17-29(18-16-28)31-19-22-51-26-31)21-10-20-40(49,24-27-11-6-5-7-12-27)37(47)41-34-32-14-9-8-13-30(32)23-33(34)45/h5-9,11-19,22,26,33-35,45,49H,10,20-21,23-25H2,1-4H3,(H,41,47)(H,42,48)(H,43,46)/t33-,34+,35-,40-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of HIV1 protease expressed in Escherichia coli				J Med Chem 51: 1053-7 (2008) Article DOI: 10.1021/jm070680h BindingDB Entry DOI: 10.7270/Q20Z7629
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50478120 (CHEMBL270080) Show SMILES COC(=O)N[C@H](C(=O)NN(CCC[C@@](O)(Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)Cc1ccc(CN2CCOCC2)cc1)C(C)(C)C Show InChI InChI=1S/C41H55N5O7/c1-40(2,3)36(43-39(50)52-4)37(48)44-46(28-31-17-15-30(16-18-31)27-45-21-23-53-24-22-45)20-10-19-41(51,26-29-11-6-5-7-12-29)38(49)42-35-33-14-9-8-13-32(33)25-34(35)47/h5-9,11-18,34-36,47,51H,10,19-28H2,1-4H3,(H,42,49)(H,43,50)(H,44,48)/t34-,35+,36-,41-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of HIV1 protease expressed in Escherichia coli				J Med Chem 51: 1053-7 (2008) Article DOI: 10.1021/jm070680h BindingDB Entry DOI: 10.7270/Q20Z7629
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50478114 (CHEMBL405092) Show SMILES COC(=O)N[C@H](C(=O)NN(CCC[C@@](O)(Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)Cc1ccc(cc1)-c1nc(cs1)C(C)(C)C)C(C)(C)C Show InChI InChI=1S/C43H55N5O6S/c1-41(2,3)34-27-55-38(44-34)30-20-18-29(19-21-30)26-48(47-37(50)36(42(4,5)6)46-40(52)54-7)23-13-22-43(53,25-28-14-9-8-10-15-28)39(51)45-35-32-17-12-11-16-31(32)24-33(35)49/h8-12,14-21,27,33,35-36,49,53H,13,22-26H2,1-7H3,(H,45,51)(H,46,52)(H,47,50)/t33-,35+,36-,43-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of HIV1 protease expressed in Escherichia coli				J Med Chem 51: 1053-7 (2008) Article DOI: 10.1021/jm070680h BindingDB Entry DOI: 10.7270/Q20Z7629
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50478101 (CHEMBL438010) Show SMILES COC(=O)N[C@H](C(=O)NN(Cc1ccc(Br)cc1)C(=O)CC[C@@](O)(Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)C(C)(C)C |r| Show InChI InChI=1S/C36H43BrN4O7/c1-35(2,3)31(39-34(46)48-4)32(44)40-41(22-24-14-16-26(37)17-15-24)29(43)18-19-36(47,21-23-10-6-5-7-11-23)33(45)38-30-27-13-9-8-12-25(27)20-28(30)42/h5-17,28,30-31,42,47H,18-22H2,1-4H3,(H,38,45)(H,39,46)(H,40,44)/t28-,30+,31-,36-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of HIV1 protease expressed in Escherichia coli				J Med Chem 51: 1053-7 (2008) Article DOI: 10.1021/jm070680h BindingDB Entry DOI: 10.7270/Q20Z7629
					More data for this Ligand-Target Pair				3D Structure (crystal)
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50478124 (CHEMBL405313) Show SMILES [#6]-[#8]-[#6](=O)-[#7]-[#6@H](-[#6](=O)-[#7]-[#7](-[#6]-[#6]-[#6][C@]([#6]-c1ccccc1)([#8][Si;v4]([#6])([#6])C([#6])([#6])[#6])[#6](=O)-[#7]-[#6@@H]-1-[#6@H](-[#8])-[#6]-c2ccccc-12)-[#6]-c1ccc(Br)cc1)C([#6])([#6])[#6] Show InChI InChI=1S/C42H59BrN4O6Si/c1-40(2,3)36(45-39(51)52-7)37(49)46-47(28-30-20-22-32(43)23-21-30)25-15-24-42(27-29-16-11-10-12-17-29,53-54(8,9)41(4,5)6)38(50)44-35-33-19-14-13-18-31(33)26-34(35)48/h10-14,16-23,34-36,48H,15,24-28H2,1-9H3,(H,44,50)(H,45,51)(H,46,49)/t34-,35+,36-,42-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of HIV1 protease expressed in Escherichia coli				J Med Chem 51: 1053-7 (2008) Article DOI: 10.1021/jm070680h BindingDB Entry DOI: 10.7270/Q20Z7629
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50478123 (CHEMBL259039) Show SMILES COC(=O)N[C@H](C(=O)NN(CCC[C@](O)(Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)Cc1ccc(Br)cc1)C(C)(C)C Show InChI InChI=1S/C36H45BrN4O6/c1-35(2,3)31(39-34(45)47-4)32(43)40-41(23-25-15-17-27(37)18-16-25)20-10-19-36(46,22-24-11-6-5-7-12-24)33(44)38-30-28-14-9-8-13-26(28)21-29(30)42/h5-9,11-18,29-31,42,46H,10,19-23H2,1-4H3,(H,38,44)(H,39,45)(H,40,43)/t29-,30+,31-,36+/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of HIV1 protease expressed in Escherichia coli				J Med Chem 51: 1053-7 (2008) Article DOI: 10.1021/jm070680h BindingDB Entry DOI: 10.7270/Q20Z7629
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50478102 (CHEMBL436861) Show SMILES [#6]-[#8]-[#6](=O)-[#7]-[#6@H](-[#6](=O)-[#7]-[#7](-[#6]-[#6]-[#6][C@]([#6]-c1ccccc1)([#8][Si;v4]([#6])([#6])C([#6])([#6])[#6])[#6](=O)-[#7]-[#6@@H]-1-[#6@@H](-[#6]-c2ccccc-12)-[#8][Si;v4]([#6])([#6])C([#6])([#6])[#6])-[#6]-c1ccc(Br)cc1)C([#6])([#6])[#6] Show InChI InChI=1S/C48H73BrN4O6Si2/c1-45(2,3)41(51-44(56)57-10)42(54)52-53(33-35-25-27-37(49)28-26-35)30-20-29-48(32-34-21-16-15-17-22-34,59-61(13,14)47(7,8)9)43(55)50-40-38-24-19-18-23-36(38)31-39(40)58-60(11,12)46(4,5)6/h15-19,21-28,39-41H,20,29-33H2,1-14H3,(H,50,55)(H,51,56)(H,52,54)/t39-,40+,41-,48-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	980	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of HIV1 protease expressed in Escherichia coli				J Med Chem 51: 1053-7 (2008) Article DOI: 10.1021/jm070680h BindingDB Entry DOI: 10.7270/Q20Z7629
					More data for this Ligand-Target Pair